The DDSC will work with researchers to evaluate the feasibility of drug discovery and design projects with the following applications and services:
Drug Target and Mode of Action types
- Small molecule enzyme inhibitors: kinases, phosphatases etc.
- Protein – protein and protein – nucleic acid interactions
- Antibody-drug conjugates
- Evaluation of potential targets for “drugability”
- Ligand and structure based virtual screening to identify initial hits for drug discovery
- In silico prediction of pharmacokinetic and ADME properties.
- Synthesis of small molecule, peptide and peptidomimetic compounds
- Structure based design to optimize ligand affinity, cellular activity and drug-likeness.
- Library design and synthesis to evaluate structure-activity relationships.
- Isolation and purification services.
- Design and synthesis of antibody-drug conjugates.
Facilities and Equipment
- 1200 Sq. Ft. Fully equipped Synthetic Chemistry laboratory
- Waters Fully Automated Mass Directed Preparative HPLC system.
- Biotage Automated Flash Chromatography system.
- Protein Technologies 6 channel fully automated parallel peptide and solid phase organic synthesizer.
- Chembridge “DIVERSet” compound collection for compound screening
- State of the Art Molecular Modeling/Computational Chemistry Software and Hardware for Ligand and Structure Based Molecular Design.
- Access to UofSC high performance computing facilities for docking of virtual molecular libraries of zinc database (35 million purchasable compounds).